2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide

C12H16ClNO — CID 167606729

IUPAC2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(C)cc(C(C)C)c1Cl
InChIInChI=1S/C12H16ClNO/c1-7(2)9-5-8(3)6-10(11(9)13)12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyMMNKGGBSHIHBFF-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide

2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide (PubChem CID 167606729) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide
PubChem CID167606729
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(C)cc(C(C)C)c1Cl
InChIInChI=1S/C12H16ClNO/c1-7(2)9-5-8(3)6-10(11(9)13)12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyMMNKGGBSHIHBFF-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide (CID 167606729) is 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide is CNC(=O)c1cc(C)cc(C(C)C)c1Cl.
What is the InChIKey of 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide?
The InChIKey is MMNKGGBSHIHBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7(2)9-5-8(3)6-10(11(9)13)12(15)14-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide?
2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide has a molecular weight of 225.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 167606729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).